(2S,5R)-5-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)oxolane-2-carboxamide

C15H19N3O2 — CID 120785796

IUPAC(2S,5R)-5-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)oxolane-2-carboxamide
SMILESCc1cc2cc(NC(=O)[C@@H]3CC[C@H](CN)O3)ccc2[nH]1
InChIInChI=1S/C15H19N3O2/c1-9-6-10-7-11(2-4-13(10)17-9)18-15(19)14-5-3-12(8-16)20-14/h2,4,6-7,12,14,17H,3,5,8,16H2,1H3,(H,18,19)/t12-,14+/m1/s1
InChIKeyNLBGMMAXWAEDBB-OCCSQVGLSA-N
MW273.34 g/mol
LogP1.92
Rot. Bonds3

About (2S,5R)-5-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)oxolane-2-carboxamide (PubChem CID 120785796) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)oxolane-2-carboxamide
PubChem CID120785796
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)oxolane-2-carboxamide
SMILESCc1cc2cc(NC(=O)[C@@H]3CC[C@H](CN)O3)ccc2[nH]1
InChIInChI=1S/C15H19N3O2/c1-9-6-10-7-11(2-4-13(10)17-9)18-15(19)14-5-3-12(8-16)20-14/h2,4,6-7,12,14,17H,3,5,8,16H2,1H3,(H,18,19)/t12-,14+/m1/s1
InChIKeyNLBGMMAXWAEDBB-OCCSQVGLSA-N
XLogP1.92
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide
CID 120782708
(2S,5R)-5-(aminomethyl)-N-[4-(carbamoylamino)phenyl]oxolane-2-carboxamide
CID 120785402
N-(2-methyl-1H-indol-5-yl)oxane-4-carboxamide
CID 97185524
(2S,5R)-5-(aminomethyl)-N-(4-hydroxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120801765
(2S,5R)-5-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120785287
(2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide
CID 120782541
(2S,5R)-5-(aminomethyl)-N-(3-methylsulfanylphenyl)oxolane-2-carboxamide;hydrochloride
CID 120782725
(2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)oxolane-2-carboxamide;hydrochloride
CID 120783405
(2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide;hydrochloride
CID 120782540
(2S,5R)-5-(aminomethyl)-N-[3-(methylcarbamoylamino)phenyl]oxolane-2-carboxamide
CID 120785446
(2S,5R)-5-(aminomethyl)-N-(4-bromo-3-fluorophenyl)oxolane-2-carboxamide
CID 120785826
ethyl 4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]benzoate
CID 120782848

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)oxolane-2-carboxamide (CID 120785796) is (2S,5R)-5-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)oxolane-2-carboxamide is Cc1cc2cc(NC(=O)[C@@H]3CC[C@H](CN)O3)ccc2[nH]1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)oxolane-2-carboxamide?
The InChIKey is NLBGMMAXWAEDBB-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9-6-10-7-11(2-4-13(10)17-9)18-15(19)14-5-3-12(8-16)20-14/h2,4,6-7,12,14,17H,3,5,8,16H2,1H3,(H,18,19)/t12-,14+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)oxolane-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)oxolane-2-carboxamide is sourced from PubChem (CID 120785796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).